N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

C12H12Cl2N2O — CID 3131886

IUPACN-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NN=Cc2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C12H12Cl2N2O/c1-11(8-12(11,13)14)10(17)16-15-7-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,16,17)
InChIKeyIPSDXOMLCSYKAU-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.72
Rot. Bonds3

About N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (PubChem CID 3131886) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
PubChem CID3131886
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC NameN-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NN=Cc2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C12H12Cl2N2O/c1-11(8-12(11,13)14)10(17)16-15-7-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,16,17)
InChIKeyIPSDXOMLCSYKAU-UHFFFAOYSA-N
XLogP2.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,2-dichloro-N-[(Z)-(4-ethylphenyl)methylideneamino]-1-methylcyclopropane-1-carboxamide
CID 40618936
2,2-dichloro-N-(furan-2-ylmethylideneamino)-1-methylcyclopropane-1-carboxamide
CID 3782037
2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 16624359
N-(benzylideneamino)adamantane-1-carboxamide
CID 2837531
[(E)-benzylideneamino]urea
CID 6861419
(1R)-2,2-dichloro-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1-methylcyclopropane-1-carboxamide
CID 135958110
N-[(E)-benzylideneamino]butanamide
CID 6872028
N-(benzylideneamino)-2-methyliminopropanamide
CID 123683889
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
CID 26636437
N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
N-[(E)-benzylideneamino]heptanamide
CID 6083821

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (CID 3131886) is N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NN=Cc2ccccc2)CC1(Cl)Cl.
What is the InChIKey of N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The InChIKey is IPSDXOMLCSYKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-11(8-12(11,13)14)10(17)16-15-7-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide has a molecular weight of 271.15 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 3131886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).